3LF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.34Å | 1.30Å | |
| O4 | C | doub | 1.21Å | 1.16Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C10 | O3 | sing | 1.43Å | 1.39Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C11 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C9 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.37Å | |
| C5 | O1 | sing | 1.36Å | 1.33Å | |
| O2 | C8 | sing | 1.43Å | 1.39Å | |
| O1 | C6 | sing | 1.43Å | 1.41Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | O4 | 120.8° | 120.0° |
| O | C | C1 | 120.2° | 120.0° |
| C | O | H | 109.5° | 117.1° |
| O4 | C | C1 | 118.8° | 120.0° |
| C | C1 | C2 | 120.0° | 109.5° |
| C | C1 | H1 | 106.8° | 109.5° |
| C | C1 | H2 | 106.8° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C2 | C1 | H1 | 106.8° | 109.4° |
| C2 | C1 | H2 | 106.8° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C10 | O3 | C9 | 121.9° | 117.1° |
| O3 | C10 | H12 | 109.5° | 109.4° |
| O3 | C10 | H13 | 109.5° | 109.4° |
| O3 | C10 | H14 | 109.5° | 109.5° |
| C2 | C3 | C11 | 116.8° | 119.9° |
| C2 | C3 | C4 | 117.1° | 119.9° |
| C3 | C2 | H4 | 109.5° | 109.5° |
| C3 | C2 | H3 | 109.5° | 109.5° |
| C3 | C11 | C9 | 119.3° | 120.1° |
| C11 | C3 | C4 | 126.1° | 120.2° |
| C3 | C11 | H15 | 120.4° | 119.9° |
| C11 | C9 | O3 | 123.7° | 120.0° |
| C11 | C9 | C7 | 116.4° | 120.0° |
| C9 | C11 | H15 | 120.4° | 120.0° |
| O3 | C9 | C7 | 119.9° | 120.1° |
| C3 | C4 | C5 | 117.6° | 120.1° |
| C3 | C4 | H5 | 121.2° | 120.0° |
| C9 | C7 | C5 | 122.0° | 119.8° |
| C9 | C7 | O2 | 119.2° | 120.1° |
| C4 | C5 | C7 | 118.5° | 119.9° |
| C4 | C5 | O1 | 124.7° | 120.1° |
| C5 | C4 | H5 | 121.2° | 119.9° |
| C5 | C7 | O2 | 118.7° | 120.1° |
| C7 | C5 | O1 | 116.7° | 120.0° |
| C7 | O2 | C8 | 112.2° | 117.0° |
| C5 | O1 | C6 | 122.6° | 117.0° |
| O2 | C8 | H11 | 109.5° | 109.5° |
| O2 | C8 | H10 | 109.5° | 109.5° |
| O2 | C8 | H9 | 109.5° | 109.5° |
| O1 | C6 | H7 | 109.5° | 109.5° |
| O1 | C6 | H8 | 109.5° | 109.5° |
| O1 | C6 | H6 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C2 | H3 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H6 | 109.5° | 109.5° |
| H8 | C6 | H6 | 109.4° | 109.5° |
| H11 | C8 | H10 | 109.5° | 109.4° |
| H11 | C8 | H9 | 109.4° | 109.5° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H12 | C10 | H14 | 109.4° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | O4 | C1 | 173.7° | 179.7° |
| O | C | C1 | C2 | 41.4° | 180.0° |
| O | C | C1 | H1 | 80.1° | 60.0° |
| O | C | C1 | H2 | 162.8° | 60.0° |
| O4 | C | C1 | C2 | 144.9° | 0.3° |
| O4 | C | O | H | 0.0° | 0.3° |
| O4 | C | C1 | H1 | 93.6° | 120.3° |
| O4 | C | C1 | H2 | 23.4° | 119.7° |
| C | C1 | C2 | H1 | 121.5° | 120.0° |
| C | C1 | C2 | H2 | 121.5° | 120.0° |
| C | C1 | C2 | C3 | 177.6° | 180.0° |
| C1 | C | O | H | 173.6° | 180.0° |
| C | C1 | H1 | H2 | 115.2° | 120.0° |
| C | C1 | C2 | H4 | 62.4° | 60.0° |
| C | C1 | C2 | H3 | 57.6° | 60.0° |
| C1 | C2 | C3 | H4 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | C11 | 105.4° | 90.3° |
| C1 | C2 | C3 | C4 | 73.6° | 90.0° |
| C2 | C1 | H1 | H2 | 115.2° | 119.9° |
| C1 | C2 | H4 | H3 | 120.0° | 120.0° |
| C10 | O3 | C9 | C11 | 12.8° | 0.2° |
| C10 | O3 | C9 | C7 | 167.2° | 180.0° |
| O3 | C10 | H12 | H13 | 120.0° | 119.9° |
| O3 | C10 | H12 | H14 | 120.0° | 120.0° |
| O3 | C10 | H13 | H14 | 120.0° | 120.1° |
| C2 | C3 | C11 | C4 | 179.0° | 179.7° |
| C2 | C3 | C11 | C9 | 179.0° | 179.8° |
| C2 | C3 | C4 | C5 | 177.3° | 180.0° |
| C3 | C2 | C1 | H1 | 56.1° | 59.9° |
| C3 | C2 | C1 | H2 | 60.9° | 60.0° |
| C3 | C2 | H4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H5 | 2.7° | 0.0° |
| C2 | C3 | C11 | H15 | 1.0° | 0.0° |
| C3 | C11 | C9 | H15 | 180.0° | 179.8° |
| C3 | C11 | C9 | O3 | 180.0° | 179.7° |
| C3 | C11 | C9 | C7 | 0.1° | 0.5° |
| C11 | C3 | C4 | C5 | 3.7° | 0.3° |
| C11 | C3 | C2 | H4 | 134.6° | 149.7° |
| C11 | C3 | C2 | H3 | 14.6° | 29.7° |
| C11 | C3 | C4 | H5 | 176.3° | 179.7° |
| C11 | C9 | O3 | C7 | 180.0° | 179.8° |
| C9 | C11 | C3 | C4 | 2.0° | 0.5° |
| C11 | C9 | C7 | C5 | 0.0° | 0.2° |
| C11 | C9 | C7 | O2 | 177.8° | 179.8° |
| O3 | C9 | C7 | C5 | 180.0° | 180.0° |
| O3 | C9 | C7 | O2 | 2.2° | 0.0° |
| C9 | O3 | C10 | H12 | 180.0° | 59.9° |
| C9 | O3 | C10 | H13 | 60.0° | 60.0° |
| C9 | O3 | C10 | H14 | 60.0° | 179.9° |
| O3 | C9 | C11 | H15 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 3.3° | 0.0° |
| C3 | C4 | C5 | O1 | 179.7° | 180.0° |
| C4 | C3 | C2 | H4 | 46.3° | 30.0° |
| C4 | C3 | C2 | H3 | 166.4° | 150.0° |
| C4 | C3 | C11 | H15 | 178.0° | 179.7° |
| C9 | C7 | C5 | C4 | 1.6° | 0.0° |
| C9 | C7 | C5 | O2 | 177.9° | 179.9° |
| C9 | C7 | C5 | O1 | 178.9° | 180.0° |
| C9 | C7 | O2 | C8 | 111.1° | 90.0° |
| C7 | C9 | C11 | H15 | 179.9° | 179.7° |
| C4 | C5 | C7 | O1 | 177.3° | 180.0° |
| C4 | C5 | C7 | O2 | 179.5° | 179.9° |
| C4 | C5 | O1 | C6 | 4.8° | 0.1° |
| C5 | C7 | O2 | C8 | 66.8° | 90.1° |
| C7 | C5 | O1 | C6 | 172.2° | 180.0° |
| C7 | C5 | C4 | H5 | 176.7° | 180.0° |
| O2 | C7 | C5 | O1 | 3.2° | 0.0° |
| C7 | O2 | C8 | H11 | 180.0° | 180.0° |
| C7 | O2 | C8 | H10 | 60.0° | 60.0° |
| C7 | O2 | C8 | H9 | 60.0° | 60.0° |
| O1 | C5 | C4 | H5 | 0.3° | 0.1° |
| C5 | O1 | C6 | H7 | 180.0° | 59.9° |
| C5 | O1 | C6 | H8 | 60.0° | 180.0° |
| C5 | O1 | C6 | H6 | 60.0° | 60.0° |
| O2 | C8 | H11 | H10 | 120.0° | 120.0° |
| O2 | C8 | H11 | H9 | 120.0° | 120.0° |
| O2 | C8 | H10 | H9 | 120.0° | 120.0° |
| O1 | C6 | H7 | H8 | 120.0° | 120.0° |
| O1 | C6 | H7 | H6 | 120.0° | 119.9° |
| O1 | C6 | H8 | H6 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 176.1° | 180.0° |
| H1 | C1 | C2 | H3 | 63.9° | 60.1° |
| H2 | C1 | C2 | H4 | 59.1° | 60.0° |
| H2 | C1 | C2 | H3 | 179.1° | 180.0° |
| H7 | C6 | H8 | H6 | 120.0° | 120.1° |
| H11 | C8 | H10 | H9 | 120.0° | 120.0° |
| H12 | C10 | H13 | H14 | 120.0° | 120.0° |
